A0A061AD67_CAEEL Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AD67, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 126 aa.

						>A0A061AD67_CAEEL|A0A061AD67
MSRSDSLTLLIERRSDGESVMMRRRRQARLSMCNEQREQTRHVVSGRATLRMTSSRSAEVFRCGDSTSFRMKSPKYESFNTSSPSKSICPQCNSQTRMIYLHQFSHGFVNNAFRFLIVSRSSYSLL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	30.2	Very low	246 Å²	246	143 Å²	143	100%	1.212	77%	0.771	S	S	*	*				0	90	0	-70.7	167	81.4	0	0	108.5
2	S	29.1	Very low	30.3	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	75%	0.749	S	S	*	*			trans	-91.6	111.8	177.8	39.1	0	0	0	0	109.4	S4	S2-S4 PolarHBondContact O-N 3.09Å
3	R	30.6	Very low	30.4	Very low	231 Å²	231	146.4 Å²	146.4	87%	0.872	76%	0.756	S	S	*	*			trans	-71.5	115.5	167.2	-83	179.8	169.5	170.3	-1	107.9	D5	R3-D5 PolarHBondContact O-N 3.14Å
4	S	30.1	Very low	30.3	Very low	111 Å²	111	146.6 Å²	146.6	78%	0.776	74%	0.742	S	S	*	*			trans	-85.6	99.1	171.7	-55.2	0	0	0	0	108.6	S2 S6	S2-S4 PolarHBondContact O-N 3.09Å; S4-S6 PolarHBondContact O-N 2.87Å
5	D	28.5	Very low	30.7	Very low	151 Å²	151	145.8 Å²	145.8	81%	0.807	76%	0.755	S	S	*	*			trans	-65	111.1	168.9	-72.6	-30.1	0	0	0	108.7	R3 L7	R3-D5 PolarHBondContact O-N 3.14Å; D5-L7 PolarHBondContact O-N 3.14Å
6	S	29.4	Very low	31	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	74%	0.739	S	S	*	*			trans	-76.5	110.6	178	56.5	0	0	0	0	110	S4 T8	S4-S6 PolarHBondContact O-N 2.87Å; S6-T8 PolarHBondContact O-N 3.13Å
7	L	27.8	Very low	31.2	Very low	116 Å²	116	138.1 Å²	138.1	61%	0.607	74%	0.736	S	S	*	*			trans	-77.9	105.2	170.8	-104.6	145.9	0	0	0	109.6	D5 L9	D5-L7 PolarHBondContact O-N 3.14Å; L7-L9 PolarHBondContact O-N 3.17Å
8	T	33	Very low	31	Very low	93 Å²	93	138.9 Å²	138.9	57%	0.571	74%	0.735	S	S	*	*			trans	-82.1	111.5	170.6	-46.9	0	0	0	0	109.1	S6	S6-T8 PolarHBondContact O-N 3.13Å
9	L	28.4	Very low	31.2	Very low	145 Å²	145	136.7 Å²	136.7	76%	0.759	73%	0.732	S	S	*	*			trans	-94.5	109.2	168	-77.9	162.4	0	0	0	108.4	L7 I11	L7-L9 PolarHBondContact O-N 3.17Å; L9-I11 PolarHBondContact O-N 3.37Å
10	L	32.1	Very low	31.3	Very low	124 Å²	124	132.8 Å²	132.8	65%	0.649	71%	0.713	S	S	*	*			trans	-82.4	107.8	168.5	-85.9	145.3	0	0	0	107.7
11	I	32.8	Very low	31.2	Very low	141 Å²	141	135.3 Å²	135.3	72%	0.723	72%	0.723	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.3	97.1	169.7	-56.8	174.5	0	0	0	106.6	L9	L9-I11 PolarHBondContact O-N 3.37Å
12	E	31.3	Very low	31.2	Very low	108 Å²	108	128.6 Å²	128.6	51%	0.505	69%	0.69	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.2	116.7	166.5	-91.9	-177.8	158.4	0	0	108.8	M22	E12-M22 WeakPolarHBondContact OE2-CE 3.12Å
13	R	32	Very low	31.4	Very low	222 Å²	222	134.5 Å²	134.5	84%	0.838	70%	0.695	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.4	115.2	167.2	-105.3	-176.9	162.3	172.2	-3.9	108
14	R	28.1	Very low	31.4	Very low	149 Å²	149	133.3 Å²	133.3	56%	0.562	69%	0.69	S	S	*	*			trans	-77.4	156	168.2	-70.4	176	52.5	139.5	-3.1	110.3	D16 G17 V20	R14-D16 WeakPolarHBondContact CB-OD1 3.41Å; R14-D16 IonicContact CZ-OD2 3.52Å; R14-D16 IonicContact NE-OD1 3.49Å; R14-D16 PolarHBondContact NE-OD1 3.32Å; R14-D16 IonicContact NE-OD2 3.28Å; R14-D16 PolarHBondContact NE-OD2 3.25Å; R14-D16 IonicContact NH2-OD2 2.92Å; R14-D16 PolarHBondContact NH2-OD2 3.1Å; R14-D16 PolarHBondContact O-N 2.99Å; R14-G17 PolarHBondContact O-N 3.41Å; R14-V20 HydrophobicContact CG-CG2 4.45Å
15	S	36.8	Very low	31.5	Very low	135 Å²	135	139.6 Å²	139.6	94%	0.944	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-9.4	-173.6	48.8	0	0	0	0	114.8
16	D	35.9	Very low	31.7	Very low	94 Å²	94	144.2 Å²	144.2	50%	0.503	70%	0.703	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-2.7	177.9	35.9	15	0	0	0	113.1	R14 E18	R14-D16 WeakPolarHBondContact CB-OD1 3.41Å; R14-D16 IonicContact CZ-OD2 3.52Å; R14-D16 IonicContact NE-OD1 3.49Å; R14-D16 PolarHBondContact NE-OD1 3.32Å; R14-D16 IonicContact NE-OD2 3.28Å; R14-D16 PolarHBondContact NE-OD2 3.25Å; R14-D16 IonicContact NH2-OD2 2.92Å; R14-D16 PolarHBondContact NH2-OD2 3.1Å; R14-D16 PolarHBondContact O-N 2.99Å; D16-E18 VanDerWaalsContact C-N 3.3Å; D16-E18 PolarHBondContact O-N 3.02Å
17	G	34.3	Very low	31.9	Very low	66 Å²	66	147.6 Å²	147.6	68%	0.68	71%	0.708	S	S	*	*	S	Bend	trans	84.5	-6.3	171.3	0	0	0	0	0	115.4	R14	R14-G17 PolarHBondContact O-N 3.41Å
18	E	27.5	Very low	32.1	Very low	153 Å²	153	146.1 Å²	146.1	72%	0.715	71%	0.712	S	S	*	*			trans	-83.9	133.7	169.8	-69.5	-159.3	154	0	0	111.7	D16 V20	D16-E18 VanDerWaalsContact C-N 3.3Å; D16-E18 PolarHBondContact O-N 3.02Å; E18-V20 PolarHBondContact O-N 2.87Å
19	S	33.9	Very low	32.2	Very low	97 Å²	97	153.2 Å²	153.2	68%	0.678	73%	0.728	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.5	108.4	175.7	53.2	0	0	0	0	110.4
20	V	33.1	Very low	32.4	Very low	58 Å²	58	154.4 Å²	154.4	35%	0.352	74%	0.735	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.6	114.3	170.2	-176.7	0	0	0	0	109	R14 E18 M22	R14-V20 HydrophobicContact CG-CG2 4.45Å; E18-V20 PolarHBondContact O-N 2.87Å; V20-M22 HydrophobicContact CG1-CG 3.86Å; V20-M22 PolarHBondContact O-N 3.06Å; V20-M22 VanDerWaalsContact O-N 3.08Å
21	M	29.5	Very low	32.2	Very low	187 Å²	187	153.2 Å²	153.2	92%	0.921	74%	0.737	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.6	98.1	165	-80.4	-169.9	-78.9	0	0	109.1	R23	M21-R23 PolarHBondContact O-N 3.14Å
22	M	32.2	Very low	32.2	Very low	105 Å²	105	154.5 Å²	154.5	52%	0.517	74%	0.742	S	S	.	*			trans	-82.5	106.4	177.7	-86.3	-105.3	-100.7	0	0	112	E12 V20	E12-M22 WeakPolarHBondContact OE2-CE 3.12Å; V20-M22 HydrophobicContact CG1-CG 3.86Å; V20-M22 PolarHBondContact O-N 3.06Å; V20-M22 VanDerWaalsContact O-N 3.08Å
23	R	32.3	Very low	32.1	Very low	236 Å²	236	154.8 Å²	154.8	89%	0.891	75%	0.754	S	S	*	*			trans	-22.6	131.7	167.2	-147.4	170.2	179.7	173.3	-0.7	116.9	M21 R25	M21-R23 PolarHBondContact O-N 3.14Å; R23-R25 PolarHBondContact O-N 2.97Å
24	R	29.9	Very low	32	Very low	206 Å²	206	150.2 Å²	150.2	78%	0.777	75%	0.746	S	S	*	*			trans	-40.5	115.7	171.4	-74.9	176.2	171.6	179.9	-4.3	113.5
25	R	33.9	Very low	32.2	Very low	243 Å²	243	148.5 Å²	148.5	92%	0.917	75%	0.745	S	S	*	*			trans	-105.1	116.8	156.8	-102.7	-177.6	174.3	179.5	-1	109.4	R23 Q27	R23-R25 PolarHBondContact O-N 2.97Å; R25-Q27 PolarHBondContact O-N 3.17Å
26	R	32.5	Very low	32	Very low	247 Å²	247	150.1 Å²	150.1	93%	0.932	74%	0.737	S	S	*	*			trans	-59.6	119.7	172.2	-86.5	178	169.2	177.9	-3.4	109	A28	R26-A28 PolarHBondContact O-N 3.29Å; R26-A28 VanDerWaalsContact O-N 3.16Å
27	Q	33	Very low	31.8	Very low	175 Å²	175	156.4 Å²	156.4	82%	0.818	75%	0.754	S	S	*	*			trans	-68.3	105.8	169.2	-79.5	179.5	-17.4	0	0	109.2	R25	R25-Q27 PolarHBondContact O-N 3.17Å
28	A	30.9	Very low	31.7	Very low	85 Å²	85	160.1 Å²	160.1	70%	0.702	75%	0.754	S	S	*	*			trans	-72.3	134	158.1	0	0	0	0	0	107.9	R26 L30	R26-A28 PolarHBondContact O-N 3.29Å; R26-A28 VanDerWaalsContact O-N 3.16Å; A28-L30 PolarHBondContact O-N 3.04Å
29	R	35.5	Very low	31.8	Very low	242 Å²	242	157.6 Å²	157.6	91%	0.913	74%	0.742	S	S	*	*			trans	-55.3	99.3	179.5	-74.9	172.8	158.7	-176.4	-8.4	110.3
30	L	32.5	Very low	31.7	Very low	170 Å²	170	158.8 Å²	158.8	89%	0.89	75%	0.745	S	S	*	*			trans	-91.6	124.1	164.1	-72.9	171.1	0	0	0	108.1	A28	A28-L30 PolarHBondContact O-N 3.04Å
31	S	29	Very low	31.5	Very low	99 Å²	99	166.9 Å²	166.9	69%	0.692	77%	0.769	S	S	*	*			trans	-65	140.5	-172.4	39.1	0	0	0	0	112.2	C33	S31-C33 PolarHBondContact O-N 3.45Å
32	M	32.2	Very low	31.6	Very low	168 Å²	168	165.7 Å²	165.7	83%	0.828	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	6.7	-177.1	-70.4	-81.8	-65.5	0	0	117.1
33	C	29.7	Very low	31.6	Very low	113 Å²	113	166.1 Å²	166.1	76%	0.764	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-7.5	-169	-72.1	0	0	0	0	115.8	S31	S31-C33 PolarHBondContact O-N 3.45Å
34	N	29.1	Very low	31.4	Very low	127 Å²	127	161.7 Å²	161.7	68%	0.679	77%	0.769	S	S	*	*	S	Bend	trans	-105.9	-8.5	176.5	-83.6	-10.7	0	0	0	114.8	Q36 R37	N34-Q36 VanDerWaalsContact C-N 3.28Å; N34-Q36 PolarHBondContact O-N 2.04Å; N34-R37 PolarHBondContact O-N 3.32Å
35	E	33.6	Very low	31.4	Very low	112 Å²	112	157 Å²	157	52%	0.523	77%	0.767	S	S	.	*	H	α-helix	trans	-65.5	-27.6	-177.7	-74	-164.7	160.1	0	0	113.4	R37 Q39	E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 2.92Å; E35-Q39 WeakPolarHBondContact O-CB 3.06Å; E35-Q39 VanDerWaalsContact O-CD 3.26Å; E35-Q39 WeakPolarHBondContact O-CG 3.42Å; E35-Q39 PolarHBondContact O-N 2.88Å; E35-Q39 VanDerWaalsContact O-N 3.1Å
36	Q	31.8	Very low	31.1	Very low	169 Å²	169	148.5 Å²	148.5	79%	0.79	76%	0.755	S	S	*	*	H	α-helix	trans	-70.6	-26.1	-177.1	-103.1	-179.2	-23.8	0	0	114	N34	N34-Q36 VanDerWaalsContact C-N 3.28Å; N34-Q36 PolarHBondContact O-N 2.04Å
37	R	31.2	Very low	30.8	Very low	226 Å²	226	147.6 Å²	147.6	85%	0.853	75%	0.752	S	S	*	*	H	α-helix	trans	-93.6	-22.4	-174.9	-144.1	176	-176.8	-173.7	0.3	113.7	N34 E35	N34-R37 PolarHBondContact O-N 3.32Å; E35-R37 VanDerWaalsContact C-N 3.33Å; E35-R37 PolarHBondContact O-N 2.92Å
38	E	31.8	Very low	30.6	Very low	145 Å²	145	141.6 Å²	141.6	68%	0.678	73%	0.732	S	S	*	*	H	α-helix	trans	-91.4	-17.1	169.7	-84.1	172	154.7	0	0	113.1	T40 R41	E38-T40 PolarHBondContact O-N 3.27Å; E38-R41 PolarHBondContact O-N 3.26Å
39	Q	31	Very low	30.3	Very low	99 Å²	99	144.3 Å²	144.3	46%	0.463	74%	0.741	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-21.5	174.9	-89.2	171.6	10.7	0	0	113.9	E35 V43	E35-Q39 WeakPolarHBondContact O-CB 3.06Å; E35-Q39 VanDerWaalsContact O-CD 3.26Å; E35-Q39 WeakPolarHBondContact O-CG 3.42Å; E35-Q39 PolarHBondContact O-N 2.88Å; E35-Q39 VanDerWaalsContact O-N 3.1Å; Q39-V43 WeakPolarHBondContact O-CG2 3.34Å
40	T	30.3	Very low	29.9	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-8.2	179.7	17.8	0	0	0	0	114.5	E38	E38-T40 PolarHBondContact O-N 3.27Å
41	R	28.9	Very low	29.6	Very low	228 Å²	228	137.3 Å²	137.3	86%	0.86	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-10.9	176.9	-79.6	-170.2	178.1	-163.2	-0.1	115.3	E38	E38-R41 PolarHBondContact O-N 3.26Å
42	H	31.9	Very low	29.8	Very low	162 Å²	162	138 Å²	138	75%	0.75	70%	0.701	S	S	*	*			trans	-119.1	20.3	179.3	-69.6	-66.3	0	0	0	114.6	V44	H42-V44 PolarHBondContact O-N 3.04Å
43	V	31.9	Very low	29.5	Very low	114 Å²	114	131.7 Å²	131.7	69%	0.691	67%	0.672	S	S	*	*			trans	-82.7	71.2	169.6	179.1	0	0	0	0	109.3	Q39	Q39-V43 WeakPolarHBondContact O-CG2 3.34Å
44	V	29.5	Very low	29.5	Very low	144 Å²	144	131.3 Å²	131.3	87%	0.873	67%	0.671	S	S	*	*	S	Bend	trans	-132.3	62	152.3	-174.1	0	0	0	0	106.6	H42	H42-V44 PolarHBondContact O-N 3.04Å
45	S	29.9	Very low	30	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	68%	0.677	S	S	*	*	S	Bend	trans	175.1	110.9	161.2	-178.7	0	0	0	0	108	R47	S45-R47 PolarHBondContact O-N 3.06Å
46	G	26.1	Very low	30	Very low	65 Å²	65	135.9 Å²	135.9	67%	0.67	69%	0.691	S	S	*	*			trans	-69.2	95.9	-172.9	0	0	0	0	0	113.8	R114	G46-R114 PolarHBondContact O-NH1 2.97Å
47	R	27.3	Very low	30.1	Very low	228 Å²	228	130.9 Å²	130.9	86%	0.86	68%	0.675	S	S	*	*			trans	-68.2	127.2	166.2	-143.5	177.1	-178.2	-172.1	-0.4	109.4	S45	S45-R47 PolarHBondContact O-N 3.06Å
48	A	27.9	Very low	30.3	Very low	50 Å²	50	121.8 Å²	121.8	41%	0.413	65%	0.648	S	S	.	*			trans	-144.6	141.2	150	0	0	0	0	0	111.1	R114	A48-R114 VanDerWaalsContact N-CZ 3.33Å
49	T	24.8	Very low	30.6	Very low	142 Å²	142	116.3 Å²	116.3	87%	0.871	62%	0.623	S	S	*	*			trans	-80.9	129.5	-178.6	-3	0	0	0	0	109
50	L	28.3	Very low	31	Very low	77 Å²	77	113.8 Å²	113.8	40%	0.403	61%	0.614	S	S	.	*			trans	-129.8	132.1	174.7	-70.7	164.8	0	0	0	109.8	A112 R114	L50-A112 HydrophobicContact CD1-CB 3.47Å; L50-A112 VanDerWaalsContact CD1-CB 3.47Å; L50-A112 WeakPolarHBondContact CD1-O 3.08Å; L50-A112 HydrophobicContact CD2-CB 3.06Å; L50-A112 HydrophobicContact CG-CB 3.8Å; L50-R114 HydrophobicContact CD1-CB 4.09Å; L50-R114 HydrophobicContact CD1-CG 3.58Å
51	R	26.4	Very low	31.5	Very low	187 Å²	187	108.1 Å²	108.1	71%	0.706	58%	0.579	S	S	*	*			trans	-107.3	151.5	179.9	-168	-174.7	-175.6	175.1	4.9	105	V109 N110 N111	R51-V109 VanDerWaalsContact CG-O 3.28Å; R51-V109 WeakPolarHBondContact CG-O 3.28Å; R51-N110 VanDerWaalsContact C-C 3.45Å; R51-N110 VanDerWaalsContact C-CA 3.43Å; R51-N110 HydrophobicContact CB-CB 3.36Å; R51-N110 HydrophobicContact CG-CB 3.92Å; R51-N110 CarbonylContact O-C 3.14Å; R51-N110 WeakPolarHBondContact O-CA 3.04Å; R51-N110 WeakPolarHBondContact O-CB 3.24Å; R51-N110 VanDerWaalsContact O-O 3.05Å; R51-N111 WeakPolarHBondContact O-CA 3.27Å; R51-N111 PolarHBondContact O-N 3.08Å
52	M	33	Very low	31.9	Very low	115 Å²	115	102.7 Å²	102.7	57%	0.567	56%	0.558	S	S	*	*			trans	-131.4	129.7	-162.7	-80.9	-155.5	75.1	0	0	116.8	F108 N110	M52-F108 CarbonylContact O-C 3.01Å; M52-N110 CarbonylContact C-O 2.71Å; M52-N110 VanDerWaalsContact CA-N 3.3Å; M52-N110 WeakPolarHBondContact CA-O 3.49Å; M52-N110 VanDerWaalsContact N-N 3.14Å; M52-N110 PolarHBondContact O-N 3.16Å
53	T	25.1	Very low	31.9	Very low	35 Å²	35	95.3 Å²	95.3	22%	0.215	53%	0.525	C	S	.	.			trans	-148.7	145	161	35.8	0	0	0	0	114.5	F108 V109 N110 N111	T53-F108 VanDerWaalsContact CG2-N 3.26Å; T53-V109 VanDerWaalsContact CB-CA 3.44Å; T53-V109 HydrophobicContact CG2-CB 3.77Å; T53-V109 HydrophobicContact CG2-CG2 3.39Å; T53-V109 VanDerWaalsContact CG2-N 3.26Å; T53-V109 WeakPolarHBondContact OG1-CA 3.16Å; T53-V109 WeakPolarHBondContact OG1-CB 3.15Å; T53-V109 WeakPolarHBondContact OG1-CG1 3.02Å; T53-V109 VanDerWaalsContact OG1-CG2 3.24Å; T53-V109 WeakPolarHBondContact OG1-CG2 2.87Å; T53-N110 VanDerWaalsContact N-N 3.13Å; T53-N110 PolarHBondContact N-O 3.3Å; T53-N110 PolarHBondContact OG1-N 3.31Å; T53-N111 PolarHBondContact O-ND2 3.33Å; T53-N111 PolarHBondContact O-OD1 3.49Å
54	S	30.7	Very low	32.4	Very low	105 Å²	105	92.5 Å²	92.5	73%	0.734	52%	0.519	S	S	*	.			trans	83.8	114.9	171.1	79.1	0	0	0	0	113
55	S	39.3	Very low	33.2	Very low	115 Å²	115	92.8 Å²	92.8	80%	0.804	52%	0.516	S	S	*	.			trans	-84.5	114.1	-174.3	49.1	0	0	0	0	110.5
56	R	33.7	Very low	33.7	Very low	219 Å²	219	93.2 Å²	93.2	83%	0.826	52%	0.518	S	S	*	.			trans	-134.4	109.8	155.4	-74.2	-173.9	177.3	178.9	-0.5	107.2
57	S	34	Very low	34.1	Very low	64 Å²	64	93.2 Å²	93.2	45%	0.448	51%	0.506	S	S	.	.			trans	-62.8	134.3	172.8	42.4	0	0	0	0	109.1
58	A	35	Very low	34.8	Very low	35 Å²	35	86.4 Å²	86.4	29%	0.289	49%	0.493	S	S	.	.			trans	-137.4	121.7	174.4	0	0	0	0	0	107.7	R70	A58-R70 HydrophobicContact CB-CG 4.39Å
59	E	37	Very low	35.4	Very low	30 Å²	30	85.2 Å²	85.2	14%	0.14	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123	172	-66.5	174.8	-179.4	0	0	107.8	F61 M71	E59-F61 HydrophobicContact CB-CD2 4.33Å; E59-F61 HydrophobicContact CB-CE2 3.53Å; E59-F61 HydrophobicContact CB-CZ 3.89Å; E59-F61 WeakPolarHBondContact OE2-CZ 3.01Å; E59-M71 PolarHBondContact O-N 3.07Å; E59-M71 WeakPolarHBondContact OE2-CE 3.31Å
60	V	40.8	Very low	36.1	Very low	46 Å²	46	86.6 Å²	86.6	28%	0.279	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.4	176.6	-177.7	0	0	0	0	107.5
61	F	39.7	Very low	36.6	Very low	3 Å²	3	86.1 Å²	86.1	1%	0.013	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138	175	-62.5	-81.2	0	0	0	108.7	E59 S68 F69 M71 S87 M98	E59-F61 HydrophobicContact CB-CD2 4.33Å; E59-F61 HydrophobicContact CB-CE2 3.53Å; E59-F61 HydrophobicContact CB-CZ 3.89Å; E59-F61 WeakPolarHBondContact OE2-CZ 3.01Å; F61-S68 WeakPolarHBondContact O-CA 3.47Å; F61-F69 HydrophobicContact CB-CD1 3.99Å; F61-F69 HydrophobicContact CB-CE1 3.37Å; F61-F69 HydrophobicContact CB-CE2 4.33Å; F61-F69 HydrophobicContact CB-CZ 3.58Å; F61-F69 HydrophobicContact CD2-CE1 4.49Å; F61-F69 AromaticContact CD2-CE2 3.98Å; F61-F69 HydrophobicContact CD2-CE2 3.98Å; F61-F69 AromaticContact CD2-CZ 3.85Å; F61-F69 HydrophobicContact CD2-CZ 3.85Å; F61-F69 HydrophobicContact CG-CE1 4.19Å; F61-F69 HydrophobicContact CG-CE2 4.45Å; F61-F69 AromaticContact CG-CZ 3.87Å; F61-F69 HydrophobicContact CG-CZ 3.87Å; F61-F69 PolarHBondContact N-O 3.27Å; F61-F69 PolarHBondContact O-N 3.29Å; F61-M71 HydrophobicContact CD2-CB 4.14Å; F61-M71 HydrophobicContact CE2-CB 3.78Å; F61-M71 HydrophobicContact CE2-CE 3.83Å; F61-M71 HydrophobicContact CE2-SD 4.18Å; F61-M71 HydrophobicContact CZ-CE 4.08Å; F61-S87 WeakPolarHBondContact CD1-OG 3.16Å; F61-S87 WeakPolarHBondContact CE1-OG 3.37Å; F61-M98 HydrophobicContact CE1-CB 4.39Å
62	R	38.7	Very low	37.3	Very low	114 Å²	114	86.6 Å²	86.6	43%	0.43	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.5	173.9	-171.2	170.5	-177.5	164.9	0.3	108.8	T96 I99	R62-T96 WeakPolarHBondContact O-CB 3.28Å; R62-T96 WeakPolarHBondContact O-CG2 3.16Å; R62-I99 HydrophobicContact CB-CD1 3.32Å; R62-I99 HydrophobicContact CB-CG1 4.18Å; R62-I99 HydrophobicContact CG-CD1 4.07Å
63	C	31.8	Very low	37.8	Very low	7 Å²	7	84.3 Å²	84.3	5%	0.047	47%	0.467	C	S	.	.			trans	-82.4	153.1	163.4	-177.1	0	0	0	0	108.1	T67 C92 S94 T96	C63-T67 WeakPolarHBondContact CB-OG1 3.42Å; C63-T67 PolarHBondContact N-O 2.83Å; C63-C92 HydrophobicContact CB-CB 4.43Å; C63-C92 WeakPolarHBondContact CB-SG 3Å; C63-C92 WeakPolarHBondContact SG-CB 2.91Å; C63-C92 CovalentContact SG-SG 2.04Å; C63-C92 PolarHBondContact SG-SG 2.92Å; C63-S94 PolarHBondContact SG-OG 3.38Å; C63-T96 HydrophobicContact CB-CG2 4.19Å
64	G	42.7	Very low	38.1	Very low	55 Å²	55	86.3 Å²	86.3	57%	0.567	48%	0.48	S	S	*	.	S	Bend	trans	-50.9	143.5	175.7	0	0	0	0	0	110.9
65	D	45	Very low	38.1	Very low	151 Å²	151	90.8 Å²	90.8	81%	0.807	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.4	96.8	179.3	-59.1	-25.6	0	0	0	116	T67	D65-T67 VanDerWaalsContact C-N 3.34Å; D65-T67 PolarHBondContact O-N 3.27Å; D65-T67 VanDerWaalsContact O-N 3.17Å
66	S	40.9	Very low	37.7	Very low	114 Å²	114	94.3 Å²	94.3	80%	0.797	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-7.4	162.7	75.6	0	0	0	0	119.5
67	T	34.4	Very low	37.4	Very low	65 Å²	65	91.7 Å²	91.7	40%	0.399	48%	0.481	S	S	.	.			trans	-106.3	119.2	-179	55.5	0	0	0	0	113	C63 D65	C63-T67 WeakPolarHBondContact CB-OG1 3.42Å; C63-T67 PolarHBondContact N-O 2.83Å; D65-T67 VanDerWaalsContact C-N 3.34Å; D65-T67 PolarHBondContact O-N 3.27Å; D65-T67 VanDerWaalsContact O-N 3.17Å
68	S	42.1	Very low	37.2	Very low	86 Å²	86	94.3 Å²	94.3	60%	0.601	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.7	170.8	62.7	0	0	0	0	109.6	F61	F61-S68 WeakPolarHBondContact O-CA 3.47Å
69	F	40.6	Very low	37.2	Very low	25 Å²	25	99.2 Å²	99.2	11%	0.11	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.4	173.4	76.9	-82.3	0	0	0	110.7	F61 M71 C89 P90 T96	F61-F69 HydrophobicContact CB-CD1 3.99Å; F61-F69 HydrophobicContact CB-CE1 3.37Å; F61-F69 HydrophobicContact CB-CE2 4.33Å; F61-F69 HydrophobicContact CB-CZ 3.58Å; F61-F69 HydrophobicContact CD2-CE1 4.49Å; F61-F69 AromaticContact CD2-CE2 3.98Å; F61-F69 HydrophobicContact CD2-CE2 3.98Å; F61-F69 AromaticContact CD2-CZ 3.85Å; F61-F69 HydrophobicContact CD2-CZ 3.85Å; F61-F69 HydrophobicContact CG-CE1 4.19Å; F61-F69 HydrophobicContact CG-CE2 4.45Å; F61-F69 AromaticContact CG-CZ 3.87Å; F61-F69 HydrophobicContact CG-CZ 3.87Å; F61-F69 PolarHBondContact N-O 3.27Å; F61-F69 PolarHBondContact O-N 3.29Å; F69-M71 HydrophobicContact CE2-CB 4.43Å; F69-C89 HydrophobicContact CD1-CB 4.11Å; F69-C89 WeakPolarHBondContact CD1-SG 3.47Å; F69-C89 HydrophobicContact CE1-CB 3.45Å; F69-C89 VanDerWaalsContact CE1-CB 3.45Å; F69-C89 WeakPolarHBondContact CE1-SG 3.35Å; F69-C89 HydrophobicContact CZ-CB 4.06Å; F69-P90 HydrophobicContact CE2-CG 4.35Å; F69-T96 HydrophobicContact CE1-CG2 4.14Å
70	R	40	Very low	36.9	Very low	171 Å²	171	104.3 Å²	104.3	65%	0.645	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.3	-177.9	-173.8	178.9	-178	177	4.4	108.7	A58	A58-R70 HydrophobicContact CB-CG 4.39Å
71	M	38.4	Very low	36.8	Very low	67 Å²	67	109.2 Å²	109.2	33%	0.33	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.9	128.9	172.1	-154.7	163	74	0	0	108.8	E59 F61 F69 S73 P74	E59-M71 PolarHBondContact O-N 3.07Å; E59-M71 WeakPolarHBondContact OE2-CE 3.31Å; F61-M71 HydrophobicContact CD2-CB 4.14Å; F61-M71 HydrophobicContact CE2-CB 3.78Å; F61-M71 HydrophobicContact CE2-CE 3.83Å; F61-M71 HydrophobicContact CE2-SD 4.18Å; F61-M71 HydrophobicContact CZ-CE 4.08Å; F69-M71 HydrophobicContact CE2-CB 4.43Å; M71-S73 PolarHBondContact O-N 2.78Å; M71-P74 HydrophobicContact CE-CG 4.43Å
72	K	39.6	Very low	36.6	Very low	196 Å²	196	113.9 Å²	113.9	85%	0.852	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-73.1	121	165.1	-73.1	-178	-179.1	175.7	0	106
73	S	44.5	Very low	36.3	Very low	67 Å²	67	112.6 Å²	112.6	47%	0.469	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-49.1	132.3	-170.1	51	0	0	0	0	113	M71	M71-S73 PolarHBondContact O-N 2.78Å
74	P	31.2	Very low	37	Very low	77 Å²	77	117.5 Å²	117.5	50%	0.5	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-64.1	150.5	156.7	27.5	-28.9	0	0	0	109	M71 Y76	M71-P74 HydrophobicContact CE-CG 4.43Å; P74-Y76 PolarHBondContact O-N 3Å
75	K	30.9	Very low	37.1	Very low	200 Å²	200	116.4 Å²	116.4	87%	0.87	63%	0.63	S	S	*	*	S	Bend	trans	-52.7	132.7	178.6	-69.9	175.7	178.9	176.2	0	109	E77	K75-E77 PolarHBondContact O-N 3.01Å
76	Y	30.5	Very low	37.1	Very low	189 Å²	189	116.5 Å²	116.5	74%	0.741	62%	0.623	S	S	*	*			trans	-35.5	100.8	178.6	-88.5	-102	0	0	0	112.7	P74	P74-Y76 PolarHBondContact O-N 3Å
77	E	27.4	Very low	37.4	Very low	163 Å²	163	112.3 Å²	112.3	76%	0.762	59%	0.594	S	S	*	*			trans	-109.3	127.6	153.8	-78.4	-176.2	169.1	0	0	106.6	K75 F79	K75-E77 PolarHBondContact O-N 3.01Å; E77-F79 VanDerWaalsContact O-CD2 3.27Å; E77-F79 WeakPolarHBondContact O-CD2 3.41Å; E77-F79 PolarHBondContact O-N 2.81Å
78	S	30.5	Very low	37.9	Very low	119 Å²	119	114.6 Å²	114.6	83%	0.832	60%	0.602	S	S	*	*			trans	-53	108.7	-177.4	46.9	0	0	0	0	111.1	N80	S78-N80 PolarHBondContact O-N 3.21Å
79	F	34.5	Very low	38	Very low	138 Å²	138	110.5 Å²	110.5	61%	0.605	57%	0.574	S	S	*	*			trans	-78.7	109.4	171.5	-77.1	-84.2	0	0	0	109.5	E77 T81	E77-F79 VanDerWaalsContact O-CD2 3.27Å; E77-F79 WeakPolarHBondContact O-CD2 3.41Å; E77-F79 PolarHBondContact O-N 2.81Å; F79-T81 PolarHBondContact O-N 3.31Å
80	N	30.7	Very low	38.1	Very low	137 Å²	137	114.5 Å²	114.5	73%	0.733	60%	0.602	S	S	*	*			trans	-55.5	120.2	163.9	-90	-29.4	0	0	0	108.9	S78 S82	S78-N80 PolarHBondContact O-N 3.21Å; N80-S82 PolarHBondContact O-N 3.5Å
81	T	38.3	Very low	38.4	Very low	149 Å²	149	113.5 Å²	113.5	91%	0.914	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	10.2	-175.9	43.8	0	0	0	0	114.8	F79	F79-T81 PolarHBondContact O-N 3.31Å
82	S	34.9	Very low	38.8	Very low	101 Å²	101	112.9 Å²	112.9	71%	0.706	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-8.3	-174.5	54.1	0	0	0	0	114.3	N80	N80-S82 PolarHBondContact O-N 3.5Å
83	S	34.4	Very low	39.1	Very low	87 Å²	87	110 Å²	110	61%	0.608	60%	0.6	S	S	*	*	S	Bend	trans	-142.1	129.1	-177.8	-57.4	0	0	0	0	111.7	S85	S83-S85 PolarHBondContact O-N 2.98Å
84	P	45.6	Very low	39.1	Very low	110 Å²	110	108.7 Å²	108.7	71%	0.714	59%	0.591	S	S	*	*			trans	-61.3	112.6	168	25	-30.5	0	0	0	107.9	K86	P84-K86 PolarHBondContact O-N 2.94Å
85	S	45.2	Very low	39.7	Very low	32 Å²	32	111.2 Å²	111.2	22%	0.224	60%	0.596	C	S	.	*			trans	-61.1	107.6	-179.6	61.6	0	0	0	0	109	S83 S87 M98	S83-S85 PolarHBondContact O-N 2.98Å; S85-S87 PolarHBondContact O-N 3.31Å; S85-M98 WeakPolarHBondContact OG-CE 3.26Å
86	K	44.3	Very low	40.4	Very low	154 Å²	154	101.7 Å²	101.7	67%	0.67	56%	0.555	S	S	*	*			trans	-77.4	104.6	173.6	-70.7	164.6	171.6	-177.9	0	107.1	P84 Q95	P84-K86 PolarHBondContact O-N 2.94Å; K86-Q95 HydrophobicContact CB-CG 4.27Å; K86-Q95 HydrophobicContact CG-CG 4.44Å
87	S	46.5	Very low	40.9	Very low	26 Å²	26	102.7 Å²	102.7	18%	0.182	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	142.2	173.5	56.2	0	0	0	0	110	F61 S85 T96	F61-S87 WeakPolarHBondContact CD1-OG 3.16Å; F61-S87 WeakPolarHBondContact CE1-OG 3.37Å; S85-S87 PolarHBondContact O-N 3.31Å; S87-T96 PolarHBondContact O-N 2.95Å; S87-T96 PolarHBondContact O-OG1 3.48Å; S87-T96 PolarHBondContact OG-OG1 3.36Å
88	I	45.3	Very low	41.6	Very low	112 Å²	112	98 Å²	98	57%	0.574	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	128	177.9	-58.9	172.9	0	0	0	107.9	N93	I88-N93 WeakPolarHBondContact CG2-OD1 2.87Å
89	C	45.2	Very low	42.4	Very low	1 Å²	1	96.9 Å²	96.9	1%	0.007	52%	0.519	C	S	.	.			trans	-70.9	127.9	177.6	177.8	0	0	0	0	110.7	F69 Q91 C92 N93 S94 T96	F69-C89 HydrophobicContact CD1-CB 4.11Å; F69-C89 WeakPolarHBondContact CD1-SG 3.47Å; F69-C89 HydrophobicContact CE1-CB 3.45Å; F69-C89 VanDerWaalsContact CE1-CB 3.45Å; F69-C89 WeakPolarHBondContact CE1-SG 3.35Å; F69-C89 HydrophobicContact CZ-CB 4.06Å; C89-Q91 PolarHBondContact O-N 3.43Å; C89-Q91 PolarHBondContact SG-N 3.34Å; C89-C92 WeakPolarHBondContact CB-SG 2.9Å; C89-C92 PolarHBondContact SG-SG 3.28Å; C89-N93 WeakPolarHBondContact O-CA 2.89Å; C89-N93 PolarHBondContact O-N 3.49Å; C89-S94 PolarHBondContact N-O 2.98Å; C89-T96 HydrophobicContact CB-CG2 3.63Å
90	P	43.2	Very low	42.8	Very low	108 Å²	108	96.3 Å²	96.3	70%	0.701	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.2	177.6	28.5	-34.3	0	0	0	113.6	F69	F69-P90 HydrophobicContact CE2-CG 4.35Å
91	Q	45	Very low	42.9	Very low	151 Å²	151	94.7 Å²	94.7	71%	0.706	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-36.6	-179.4	-68.1	-176.6	-38.3	0	0	113.4	C89	C89-Q91 PolarHBondContact O-N 3.43Å; C89-Q91 PolarHBondContact SG-N 3.34Å
92	C	46.8	Very low	42.8	Very low	54 Å²	54	93.4 Å²	93.4	37%	0.365	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-0	-175.4	64.4	0	0	0	0	113.3	C63 C89 S94	C63-C92 HydrophobicContact CB-CB 4.43Å; C63-C92 WeakPolarHBondContact CB-SG 3Å; C63-C92 WeakPolarHBondContact SG-CB 2.91Å; C63-C92 CovalentContact SG-SG 2.04Å; C63-C92 PolarHBondContact SG-SG 2.92Å; C89-C92 WeakPolarHBondContact CB-SG 2.9Å; C89-C92 PolarHBondContact SG-SG 3.28Å; C92-S94 PolarHBondContact O-N 2.92Å; C92-S94 PolarHBondContact SG-OG 3.49Å
93	N	45.9	Very low	42.6	Very low	136 Å²	136	94.9 Å²	94.9	73%	0.727	48%	0.484	S	S	*	.			trans	49.5	19.9	-175.1	-150.3	29.5	0	0	0	114.8	I88 C89	I88-N93 WeakPolarHBondContact CG2-OD1 2.87Å; C89-N93 WeakPolarHBondContact O-CA 2.89Å; C89-N93 PolarHBondContact O-N 3.49Å
94	S	45.5	Very low	42.4	Very low	38 Å²	38	99.3 Å²	99.3	27%	0.266	49%	0.493	S	S	.	.			trans	-94.1	152.2	-178.5	93.3	0	0	0	0	110.7	C63 C89 C92 T96	C63-S94 PolarHBondContact SG-OG 3.38Å; C89-S94 PolarHBondContact N-O 2.98Å; C92-S94 PolarHBondContact O-N 2.92Å; C92-S94 PolarHBondContact SG-OG 3.49Å; S94-T96 PolarHBondContact O-N 2.87Å
95	Q	43.8	Very low	41.8	Very low	131 Å²	131	99 Å²	99	61%	0.612	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	121.4	172.3	-168.3	169.9	64.4	0	0	109.2	K86	K86-Q95 HydrophobicContact CB-CG 4.27Å; K86-Q95 HydrophobicContact CG-CG 4.44Å
96	T	44.7	Very low	41	Very low	0 Å²	0	106.2 Å²	106.2	0%	0	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	149.6	179.2	65.8	0	0	0	0	110.9	R62 C63 F69 S87 C89 S94	R62-T96 WeakPolarHBondContact O-CB 3.28Å; R62-T96 WeakPolarHBondContact O-CG2 3.16Å; C63-T96 HydrophobicContact CB-CG2 4.19Å; F69-T96 HydrophobicContact CE1-CG2 4.14Å; S87-T96 PolarHBondContact O-N 2.95Å; S87-T96 PolarHBondContact O-OG1 3.48Å; S87-T96 PolarHBondContact OG-OG1 3.36Å; C89-T96 HydrophobicContact CB-CG2 3.63Å; S94-T96 PolarHBondContact O-N 2.87Å
97	R	42.2	Very low	40.4	Very low	210 Å²	210	101.8 Å²	101.8	79%	0.792	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	131	174.2	-67.1	-177.3	179.9	-178.4	0.2	108	I99	R97-I99 PolarHBondContact O-N 3.47Å
98	M	41.1	Very low	39.4	Very low	63 Å²	63	109.1 Å²	109.1	31%	0.31	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-62.2	121.6	171.9	-171.3	-153.4	-67.3	0	0	108.5	F61 S85 L101	F61-M98 HydrophobicContact CE1-CB 4.39Å; S85-M98 WeakPolarHBondContact OG-CE 3.26Å; M98-L101 HydrophobicContact SD-CB 4.11Å
99	I	46.3	Very low	38.6	Very low	96 Å²	96	107.4 Å²	107.4	49%	0.492	55%	0.545	S	S	.	.			trans	-93.8	-26	-179.1	-63.9	-165.9	0	0	0	111.6	R62 R97	R62-I99 HydrophobicContact CB-CD1 3.32Å; R62-I99 HydrophobicContact CB-CG1 4.18Å; R62-I99 HydrophobicContact CG-CD1 4.07Å; R97-I99 PolarHBondContact O-N 3.47Å
100	Y	43.2	Very low	37.8	Very low	126 Å²	126	111 Å²	111	49%	0.494	56%	0.564	S	S	.	*			trans	-161.8	137.7	-179.2	-148.9	-78.5	0	0	0	114.3	H102	Y100-H102 HydrophobicContact CD1-CB 3.86Å; Y100-H102 AromaticContact CD1-CD2 3.47Å; Y100-H102 VanDerWaalsContact CD1-CD2 3.47Å; Y100-H102 WeakPolarHBondContact CD1-CD2 3.46Å; Y100-H102 AromaticContact CD1-CG 3.74Å; Y100-H102 HydrophobicContact CE1-CB 3.56Å; Y100-H102 AromaticContact CE1-CD2 2.87Å; Y100-H102 WeakPolarHBondContact CE1-CD2 2.87Å; Y100-H102 AromaticContact CE1-CE1 3.57Å; Y100-H102 AromaticContact CE1-CG 3.03Å; Y100-H102 AromaticContact CE1-ND1 3.46Å; Y100-H102 WeakPolarHBondContact CE1-ND1 3.47Å; Y100-H102 AromaticContact CE1-NE2 3.26Å; Y100-H102 VanDerWaalsContact CE1-NE2 3.26Å; Y100-H102 WeakPolarHBondContact CE1-NE2 3.12Å; Y100-H102 AromaticContact CZ-CD2 3.34Å; Y100-H102 AromaticContact CZ-CE1 3.49Å; Y100-H102 VanDerWaalsContact CZ-CE1 3.49Å; Y100-H102 AromaticContact CZ-CG 3.79Å; Y100-H102 AromaticContact CZ-ND1 3.86Å; Y100-H102 AromaticContact CZ-NE2 3.15Å; Y100-H102 PolarHBondContact OH-CE1 3.01Å; Y100-H102 PolarHBondContact OH-ND1 2.59Å; Y100-H102 PolarHBondContact OH-NE2 3.34Å
101	L	32.6	Very low	37.1	Very low	104 Å²	104	109.5 Å²	109.5	55%	0.545	55%	0.55	S	S	.	.			trans	-121.5	111	163.7	-166.9	96	0	0	0	108.3	M98	M98-L101 HydrophobicContact SD-CB 4.11Å
102	H	36.9	Very low	36.2	Very low	121 Å²	121	104.2 Å²	104.2	56%	0.56	53%	0.532	S	S	*	.			trans	-106.2	108.3	175.1	-112.5	-42.4	0	0	0	109.4	Y100 F104	Y100-H102 HydrophobicContact CD1-CB 3.86Å; Y100-H102 AromaticContact CD1-CD2 3.47Å; Y100-H102 VanDerWaalsContact CD1-CD2 3.47Å; Y100-H102 WeakPolarHBondContact CD1-CD2 3.46Å; Y100-H102 AromaticContact CD1-CG 3.74Å; Y100-H102 HydrophobicContact CE1-CB 3.56Å; Y100-H102 AromaticContact CE1-CD2 2.87Å; Y100-H102 WeakPolarHBondContact CE1-CD2 2.87Å; Y100-H102 AromaticContact CE1-CE1 3.57Å; Y100-H102 AromaticContact CE1-CG 3.03Å; Y100-H102 AromaticContact CE1-ND1 3.46Å; Y100-H102 WeakPolarHBondContact CE1-ND1 3.47Å; Y100-H102 AromaticContact CE1-NE2 3.26Å; Y100-H102 VanDerWaalsContact CE1-NE2 3.26Å; Y100-H102 WeakPolarHBondContact CE1-NE2 3.12Å; Y100-H102 AromaticContact CZ-CD2 3.34Å; Y100-H102 AromaticContact CZ-CE1 3.49Å; Y100-H102 VanDerWaalsContact CZ-CE1 3.49Å; Y100-H102 AromaticContact CZ-CG 3.79Å; Y100-H102 AromaticContact CZ-ND1 3.86Å; Y100-H102 AromaticContact CZ-NE2 3.15Å; Y100-H102 PolarHBondContact OH-CE1 3.01Å; Y100-H102 PolarHBondContact OH-ND1 2.59Å; Y100-H102 PolarHBondContact OH-NE2 3.34Å; H102-F104 AromaticContact ND1-CD2 3.67Å; H102-F104 AromaticContact ND1-CE2 3.89Å
103	Q	30	Very low	35.5	Very low	132 Å²	132	108.5 Å²	108.5	62%	0.617	55%	0.545	S	S	*	.			trans	-113.6	105.7	163.9	-170.3	178.5	14.4	0	0	107.5
104	F	32.3	Very low	34.8	Very low	181 Å²	181	108.7 Å²	108.7	79%	0.794	54%	0.535	S	S	*	.			trans	-141.7	119.7	160.6	-74.3	-69.8	0	0	0	110.4	H102	H102-F104 AromaticContact ND1-CD2 3.67Å; H102-F104 AromaticContact ND1-CE2 3.89Å
105	S	31.8	Very low	34	Very low	103 Å²	103	114.4 Å²	114.4	72%	0.72	56%	0.556	S	S	*	*			trans	-86.3	116.7	168.9	42.2	0	0	0	0	109.3
106	H	28.5	Very low	33.3	Very low	183 Å²	183	115.6 Å²	115.6	85%	0.847	57%	0.565	S	S	*	*				162.9	128.4	122	-99.7	-89.1	0	0	0	111.8
107	G	31.1	Very low	32.5	Very low	61 Å²	61	121.4 Å²	121.4	63%	0.629	60%	0.595	S	S	*	*			trans	49.8	113.1	137	0	0	0	0	0	121.1
108	F	26	Very low	31.8	Very low	181 Å²	181	116.7 Å²	116.7	79%	0.794	59%	0.59	S	S	*	*			trans	87.1	135	150.2	-79.1	-87.3	0	0	0	122.6	M52 T53	M52-F108 CarbonylContact O-C 3.01Å; T53-F108 VanDerWaalsContact CG2-N 3.26Å
109	V	28.6	Very low	30.9	Very low	76 Å²	76	117.6 Å²	117.6	46%	0.461	60%	0.602	S	S	.	*				-78	138.3	-124.7	171	0	0	0	0	120	R51 T53	R51-V109 VanDerWaalsContact CG-O 3.28Å; R51-V109 WeakPolarHBondContact CG-O 3.28Å; T53-V109 VanDerWaalsContact CB-CA 3.44Å; T53-V109 HydrophobicContact CG2-CB 3.77Å; T53-V109 HydrophobicContact CG2-CG2 3.39Å; T53-V109 VanDerWaalsContact CG2-N 3.26Å; T53-V109 WeakPolarHBondContact OG1-CA 3.16Å; T53-V109 WeakPolarHBondContact OG1-CB 3.15Å; T53-V109 WeakPolarHBondContact OG1-CG1 3.02Å; T53-V109 VanDerWaalsContact OG1-CG2 3.24Å; T53-V109 WeakPolarHBondContact OG1-CG2 2.87Å
110	N	29.2	Very low	30.2	Very low	77 Å²	77	122.6 Å²	122.6	41%	0.412	62%	0.615	S	S	.	*			trans	177.2	-171.4	131.2	-105.5	-69.6	0	0	0	110	R51 M52 T53	R51-N110 VanDerWaalsContact C-C 3.45Å; R51-N110 VanDerWaalsContact C-CA 3.43Å; R51-N110 HydrophobicContact CB-CB 3.36Å; R51-N110 HydrophobicContact CG-CB 3.92Å; R51-N110 CarbonylContact O-C 3.14Å; R51-N110 WeakPolarHBondContact O-CA 3.04Å; R51-N110 WeakPolarHBondContact O-CB 3.24Å; R51-N110 VanDerWaalsContact O-O 3.05Å; M52-N110 CarbonylContact C-O 2.71Å; M52-N110 VanDerWaalsContact CA-N 3.3Å; M52-N110 WeakPolarHBondContact CA-O 3.49Å; M52-N110 VanDerWaalsContact N-N 3.14Å; M52-N110 PolarHBondContact O-N 3.16Å; T53-N110 VanDerWaalsContact N-N 3.13Å; T53-N110 PolarHBondContact N-O 3.3Å; T53-N110 PolarHBondContact OG1-N 3.31Å
111	N	27	Very low	29.4	Very low	76 Å²	76	121.2 Å²	121.2	41%	0.406	62%	0.624	S	S	.	*			trans	-147.4	129.1	172	-90.3	-55.7	0	0	0	106.7	R51 T53	R51-N111 WeakPolarHBondContact O-CA 3.27Å; R51-N111 PolarHBondContact O-N 3.08Å; T53-N111 PolarHBondContact O-ND2 3.33Å; T53-N111 PolarHBondContact O-OD1 3.49Å
112	A	27.8	Very low	29.3	Very low	40 Å²	40	121.6 Å²	121.6	33%	0.331	64%	0.635	S	S	.	*				-148.6	147	125.6	0	0	0	0	0	112.3	L50	L50-A112 HydrophobicContact CD1-CB 3.47Å; L50-A112 VanDerWaalsContact CD1-CB 3.47Å; L50-A112 WeakPolarHBondContact CD1-O 3.08Å; L50-A112 HydrophobicContact CD2-CB 3.06Å; L50-A112 HydrophobicContact CG-CB 3.8Å
113	F	31.4	Very low	28.9	Very low	144 Å²	144	125.3 Å²	125.3	63%	0.632	65%	0.645	S	S	*	*			trans	-82.2	110.3	165	-68.6	-92.7	0	0	0	106	F115	F113-F115 HydrophobicContact CB-CE2 4.39Å
114	R	30.8	Very low	28.7	Very low	140 Å²	140	123.8 Å²	123.8	53%	0.528	65%	0.649	S	S	.	*			trans	-95.5	104.2	164.4	-96.1	175.9	169.2	-132.7	-16.7	107.5	G46 A48 L50 L116	G46-R114 PolarHBondContact O-NH1 2.97Å; A48-R114 VanDerWaalsContact N-CZ 3.33Å; L50-R114 HydrophobicContact CD1-CB 4.09Å; L50-R114 HydrophobicContact CD1-CG 3.58Å; R114-L116 PolarHBondContact O-N 3.33Å; R114-L116 VanDerWaalsContact O-N 3.07Å
115	F	29.7	Very low	28.7	Very low	158 Å²	158	123.4 Å²	123.4	69%	0.693	66%	0.655	S	S	*	*			trans	-64.2	106.2	167.5	-68	-86.9	0	0	0	108	F113 I117	F113-F115 HydrophobicContact CB-CE2 4.39Å; F115-I117 VanDerWaalsContact C-N 3.26Å; F115-I117 HydrophobicContact CB-CG1 4.39Å; F115-I117 PolarHBondContact O-N 2.9Å
116	L	29.1	Very low	28.6	Very low	156 Å²	156	129.8 Å²	129.8	82%	0.817	68%	0.679	S	S	*	*			trans	-74.3	89.2	161	-94.6	156.6	0	0	0	106.9	R114 V118	R114-L116 PolarHBondContact O-N 3.33Å; R114-L116 VanDerWaalsContact O-N 3.07Å; L116-V118 PolarHBondContact O-N 3.23Å
117	I	26.2	Very low	28.6	Very low	122 Å²	122	127.2 Å²	127.2	63%	0.626	67%	0.671	S	S	*	*			trans	-71.2	89.8	163.4	-58.2	175.8	0	0	0	105.6	F115 S119	F115-I117 VanDerWaalsContact C-N 3.26Å; F115-I117 HydrophobicContact CB-CG1 4.39Å; F115-I117 PolarHBondContact O-N 2.9Å; I117-S119 PolarHBondContact O-N 3.04Å
118	V	27.5	Very low	28.5	Very low	111 Å²	111	130.6 Å²	130.6	67%	0.673	67%	0.673	S	S	*	*			trans	-75.6	88.9	159.9	-176.4	0	0	0	0	105.3	L116 R120	L116-V118 PolarHBondContact O-N 3.23Å; V118-R120 PolarHBondContact O-N 3.29Å; V118-R120 VanDerWaalsContact O-N 3.14Å
119	S	23.8	Very low	28.6	Very low	82 Å²	82	127.8 Å²	127.8	57%	0.573	67%	0.667	S	S	*	*			trans	-64	110.4	156.9	54.9	0	0	0	0	105.4	I117 S121	I117-S119 PolarHBondContact O-N 3.04Å; S119-S121 PolarHBondContact O-N 2.93Å
120	R	31.5	Very low	28.6	Very low	200 Å²	200	130.9 Å²	130.9	76%	0.755	68%	0.679	S	S	*	*			trans	-57.5	102.6	156.6	-116.7	179.6	167.8	-177.8	-5.2	104.4	V118 S122	V118-R120 PolarHBondContact O-N 3.29Å; V118-R120 VanDerWaalsContact O-N 3.14Å; R120-S122 PolarHBondContact O-N 3.18Å; R120-S122 VanDerWaalsContact O-N 3.14Å
121	S	26.6	Very low	28.6	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	70%	0.695	S	S	*	*			trans	-47.4	125.4	165.2	-58.9	0	0	0	0	106.2	S119 Y123	S119-S121 PolarHBondContact O-N 2.93Å; S121-Y123 PolarHBondContact O-N 3.27Å; S121-Y123 VanDerWaalsContact O-N 3.13Å
122	S	28.7	Very low	28.7	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	72%	0.715	S	S	*	*			trans	-40.8	120.6	176.5	-42.7	0	0	0	0	108.5	R120 S124	R120-S122 PolarHBondContact O-N 3.18Å; R120-S122 VanDerWaalsContact O-N 3.14Å; S122-S124 PolarHBondContact O-N 3.29Å
123	Y	29.4	Very low	28.8	Very low	200 Å²	200	145.1 Å²	145.1	78%	0.784	74%	0.742	S	S	*	*			trans	-59.4	102.5	157.1	-84.7	-92	0	0	0	104.7	S121 L125	S121-Y123 PolarHBondContact O-N 3.27Å; S121-Y123 VanDerWaalsContact O-N 3.13Å; Y123-L125 PolarHBondContact O-N 3.39Å; Y123-L125 VanDerWaalsContact O-N 3.14Å
124	S	25.2	Very low	28.6	Very low	100 Å²	100	145.2 Å²	145.2	70%	0.699	75%	0.75	S	S	*	*			trans	-61.9	112.4	167.8	-178.8	0	0	0	0	106	S122 L126	S122-S124 PolarHBondContact O-N 3.29Å; S124-L126 PolarHBondContact O-N 3.37Å; S124-L126 VanDerWaalsContact O-N 3.09Å
125	L	33.6	Very low	28.4	Very low	173 Å²	173	145.7 Å²	145.7	91%	0.906	77%	0.769	S	S	*	*			trans	-62.3	100.3	160.5	-82.5	157.3	0	0	0	107.5	Y123	Y123-L125 PolarHBondContact O-N 3.39Å; Y123-L125 VanDerWaalsContact O-N 3.14Å
126	L	29.6	Very low	28.3	Very low	237 Å²	237	144.5 Å²	144.5	100%	1.241	78%	0.776	S	S	*	*			trans	-148.8	0	149.8	-85.9	176.6	0	0	0	108	S124	S124-L126 PolarHBondContact O-N 3.37Å; S124-L126 VanDerWaalsContact O-N 3.09Å

Retrieved 126 of 126 residues in 85.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).